Comparison of the Quasidynamical and Tensor LEED Approximation for LEED Intensity Spectra from a Reconstructed Surface

1988 ◽  
pp. 19-25
Author(s):  
N. Bickel ◽  
K. Heinz ◽  
H. Landskron ◽  
P. J. Rous ◽  
J. B. Pendry ◽  
...  
Keyword(s):  
Reconstructed Surface

scholarly journals Active Phase on SrCo1–xFexO3−δ (0 ≤ x ≤ 0.5) Perovskite for Water Oxidation: Reconstructed Surface versus Remaining Bulk

JACS Au ◽  
2021 ◽  
Author(s):  
Haiyan Li ◽  
Yubo Chen ◽  
Jingjie Ge ◽  
Xianhu Liu ◽  
Adrian C. Fisher ◽  
...  
Keyword(s):  
Water Oxidation ◽  
Active Phase ◽  
Surface Versus ◽  
Reconstructed Surface

The Atomic Geometry of the Reconstructed (001) Surface of the Rutile Phase of SnO2

1989 ◽  
Vol 159 ◽  
Author(s):  
Charles B. Duke ◽  
Michael R. Thompson
Keyword(s):  
Energy Barrier ◽  
Tight Binding ◽  
Rutile Phase ◽  
Tetrahedral Coordination ◽  
Surface Geometry ◽  
Coordinate Surface ◽  
Rutile Structure ◽  
Reconstructed Surface ◽  
Distorted Tetrahedral Coordination ◽  
Stable Structures

AbstractThe tight-binding total energy formalism developed for tetrahedrally coordinated compound semiconductors has been extended to rutile-structure oxides and applied to calculate the surface atomic geometry and electronic structure of SnO2 (001). Two stable structures, separated by an energy barrier, are found. The first consists of slightly relaxed surface geometry with the top layer oxygen atoms relaxed outward by approximately 0.12A, and cations inward by 0.25A. The second geometry is a more massively reconstructed surface in which the four-coordinate surface Sn atoms attain highly distorted tetrahedral coordination.

scholarly journals Au(100) as a Template for Pentacene Monolayer

Molecules ◽  
2021 ◽  
Vol 26 (8) ◽  
pp. 2393
Author(s):  
Artur Trembułowicz ◽  
Agata Sabik ◽  
Miłosz Grodzicki
Keyword(s):  
Self Assembly ◽  
Molecular Layer ◽  
High Vacuum ◽  
Gold Surface ◽  
Ultra High Vacuum ◽  
Scanning Tunneling ◽  
Tunneling Microscopy ◽  
Height Difference ◽  
Characteristic Features ◽  
Reconstructed Surface

The surface of quasi-hexagonal reconstructed Au(100) is used as the template for monolayer pentacene (PEN) self-assembly. The system is characterized by means of scanning tunneling microscopy at room temperature and under an ultra-high vacuum. A new modulated pattern of molecules with long molecular axes (MA) arranged along hex stripes is found. The characteristic features of the hex reconstruction are preserved herein. The assembly with MA across the hex rows leads to an unmodulated structure, where the molecular layer does not recreate the buckled hex phase. The presence of the molecules partly lifts the reconstruction—i.e., the gold hex phase is transformed into a (1×1) phase. The arrangement of PEN on the gold (1×1) structure is the same as that of the surrounding molecular domain on the reconstructed surface. The apparent height difference between phases allows for the distinction of the state of the underlying gold surface.

Structure of the hydrogen-induced Ni{110}-p(1 × 2)-H reconstructed surface

1991 ◽  
Vol 259 (1-2) ◽  
pp. A631
Author(s):  
C. Roux ◽  
H. Bu ◽  
J.W. Rabalais
Keyword(s):  
Reconstructed Surface

scholarly journals Morphological Precision Assessment of Reconstructed Surface Models for a Coral Atoll Lagoon

2018 ◽  
Vol 10 (8) ◽  
pp. 2749
Author(s):  
Qi Wang ◽  
Fenzhen Su ◽  
Yu Zhang ◽  
Huiping Jiang ◽  
Fei Cheng
Keyword(s):  
Polynomial Interpolation ◽  
Interpolation Method ◽  
Effective Means ◽  
Slope Aspect ◽  
Change Rate ◽  
Local Slope ◽  
Evaluation Approach ◽  
Multiple Precision ◽  
Surface Models ◽  
Reconstructed Surface

In addition to remote-sensing monitoring, reconstructing morphologic surface models through interpolation is an effective means to reflect the geomorphological evolution, especially for the lagoons of coral atolls, which are underwater. However, which interpolation method is optimal for lagoon geomorphological reconstruction and how to assess the morphological precision have been unclear. To address the aforementioned problems, this study proposed a morphological precision index system including the root mean square error (RMSE) of the elevation, the change rate of the local slope shape (CRLSS), and the change rate of the local slope aspect (CRLSA), and introduced the spatial appraisal and valuation approach of environment and ecosystems (SAVEE). In detail, ordinary kriging (OK), inverse distance weighting (IDW), radial basis function (RBF), and local polynomial interpolation (LPI) were used to reconstruct the lagoon surface models of a typical coral atoll in South China Sea and the morphological precision of them were assessed, respectively. The results are as follows: (i) OK, IDW, and RBF exhibit the best performance in terms of RMSE (0.3584 m), CRLSS (51.43%), and CRLSA (43.29%), respectively, while with insufficiently robust when considering all three aspects; (ii) IDW, LPI, and RBF are suitable for lagoon slopes, lagoon bottoms, and patch reefs, respectively; (iii) The geomorphic decomposition scale is an important factor that affects the precision of geomorphologic reconstructions; and, (iv) This system and evaluation approach can more comprehensively consider the differences in multiple precision indices.

scholarly journals STM Observation of the Si(111) - (7×7) Reconstructed Surface Modified by Excess Phosphorus Doping

2017 ◽  
Vol 7 (6) ◽  
pp. 2993 ◽  
Author(s):  
Hirulak D. Siriwardena ◽  
Toru Yamashita ◽  
Masaru Shimomura
Keyword(s):  
Electric Field ◽  
Lone Electron Pair ◽  
High Surface ◽  
Surface Strain ◽  
Semiconductor Surface ◽  
Phosphorus Doping ◽  
Dynamic Movement ◽  
Reconstructed Surface ◽  
Dopant Atoms ◽  
Surface Modified

<span>The electronic properties of semiconductor surfaces change readily upon changing the carrier densities by controlling the dopant concentration. Additionally, excess dopant atoms can exert electric field which would affect the molecular adsorption process and could be used to manipulate the dynamic movement of confined molecules. A mechanism can be developed to control the molecular dynamic movement on modified semiconductor surface by dopants thus changing the effect of the electric field on the active molecules.  In this study, the Si(111) surface was doped with phosphorus excessively using thermal diffusion process. The surface was then reconstructed to the 7 × 7 configuration via heating under UHV conditions and then studied through STM and STS techniques. The protrusions due to surface and subsurface P atoms appear brighter due to the lone electron pair. The 7 × 7 reconstruction would be destabilized after a critical P substitution of Si-adatom concentration due to high surface strain result in P-terminated (6√3 × 6√3)</span><em><span>R</span></em><span>30º reconstruction.</span>

Ga-induced restructuring of Si(5 5 12)−2×1 reconstructed surface at room temperature

2011 ◽  
Vol 605 (15-16) ◽  
pp. 1426-1430 ◽  
Author(s):  
Praveen Kumar ◽  
Mahesh Kumar ◽  
B.R. Mehta ◽  
S.M. Shivaprasad
Keyword(s):  
Room Temperature ◽  
Reconstructed Surface

Structural Properties of Iron Nitride on Cu(100): an Ab-initio Molecular Dynamics study

2011 ◽  
Vol 1290 ◽  
Author(s):  
Dodi Heryadi ◽  
Udo Schwingenschlögl
Keyword(s):  
Molecular Dynamics ◽  
Ab Initio ◽  
Structural Properties ◽  
Nitride Layer ◽  
Dynamics Simulation ◽  
Ab Initio Molecular Dynamics ◽  
Iron Nitrides ◽  
Iron Nitride ◽  
Magnetic Storage ◽  
Reconstructed Surface

ABSTRACTDue to their potential applications in magnetic storage devices, iron nitrides have been a subject of numerous experimental and theoretical investigations. Thin films of iron nitride have been successfully grown on different substrates. To study the structural properties of a single monolayer film of FeN we have performed an ab-initio molecular dynamics simulation of its formation on a Cu(100) substrate. The iron nitride layer formed in our simulation shows a p4gm(2x2) reconstructed surface, in agreement with experimental results. In addition to its structural properties, we are also able to determine the magnetization of this thin film. Our results show that one monolayer of iron nitride on Cu(100) is ferromagnetic with a magnetic moment of 1.67μB.

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